3-ethyl-3,5,5-trimethyloxane

C10H20O — CID 20820803

IUPAC3-ethyl-3,5,5-trimethyloxane
SMILESCCC1(C)COCC(C)(C)C1
InChIInChI=1S/C10H20O/c1-5-10(4)6-9(2,3)7-11-8-10/h5-8H2,1-4H3
InChIKeyJFUXQLIPWKDHRO-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds1

About 3-ethyl-3,5,5-trimethyloxane

3-ethyl-3,5,5-trimethyloxane (PubChem CID 20820803) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-ethyl-3,5,5-trimethyloxane.

Molecular Properties

Compound Name3-ethyl-3,5,5-trimethyloxane
PubChem CID20820803
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-ethyl-3,5,5-trimethyloxane
SMILESCCC1(C)COCC(C)(C)C1
InChIInChI=1S/C10H20O/c1-5-10(4)6-9(2,3)7-11-8-10/h5-8H2,1-4H3
InChIKeyJFUXQLIPWKDHRO-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,5,5-trimethyloxane?
The IUPAC name of 3-ethyl-3,5,5-trimethyloxane (CID 20820803) is 3-ethyl-3,5,5-trimethyloxane.
What is the SMILES notation for 3-ethyl-3,5,5-trimethyloxane?
The canonical SMILES for 3-ethyl-3,5,5-trimethyloxane is CCC1(C)COCC(C)(C)C1.
What is the InChIKey of 3-ethyl-3,5,5-trimethyloxane?
The InChIKey is JFUXQLIPWKDHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-10(4)6-9(2,3)7-11-8-10/h5-8H2,1-4H3.
What are the key properties of 3-ethyl-3,5,5-trimethyloxane?
3-ethyl-3,5,5-trimethyloxane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,5,5-trimethyloxane is sourced from PubChem (CID 20820803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).